SCHEMBL2006084

SCHEMBL2006084

O=C(O)NC1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.51
AOC3 Q16853 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
CNR2 P34972 1/20 0.47
DRD2 P14416 2/20 0.46
PANK3 Q9H999 1/20 0.46
SMO Q99835 4/20 0.46
DRD4 P21917 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
GRM4 Q14833 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6944907 0.88 SMO (0.55) DEGS1AOC3KDM4EMAPTGPR119
SCHEMBL2145523 0.84 HRH3 (0.48) AOC3KDM4EHRH3CKS1BSKP1
SCHEMBL21551734 0.84 DEGS1 (0.49) DEGS1SMOHRH3CKS1BSKP1
SCHEMBL27808913 0.84 PANK3 (0.51) DEGS1AOC3KDM4EMAPTGPR119
SCHEMBL1728874 0.83 AKR1C3 (0.50) PANK3HRH3CKS1BSKP1SKP2
SCHEMBL31140038 0.83 AKR1C3 (0.50) PANK3HRH3CKS1BSKP1SKP2
SCHEMBL1999758 0.83 HRH3 (0.51) GPR119SMOHRH3CKS1BSKP1
SCHEMBL23323204 0.81 CKS1B (0.60) DEGS1KDM4EMAPTGPR119CNR2
SCHEMBL31381165 0.81 LMNA (0.62) DEGS1KDM4EMAPTGPR119CNR2
SCHEMBL31381164 0.81 LMNA (0.62) DEGS1KDM4EMAPTGPR119CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021083185-A1 PYRIMIDINE-CONTAINING PIPERIDINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DEGS1 1495/4885AOC3 3098/4885KDM4E 4359/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DEGS1 1495/4885AOC3 3098/4885KDM4E 4359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.